SCHEMBL8932280

SCHEMBL8932280

Nc1ccccc1C1CCCC(C(F)(F)F)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.35
GAA P10253 3/20 0.33
HTR2B P41595 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CUL4A Q13619 1/20 0.31
PTPN5 P54829 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
RBP4 P02753 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8932246 0.80 HTR2C (0.42) HTR2CGAAHTR2BTDP1NOS3
SCHEMBL1068978 0.78 NOS1 (0.41) HTR2CGAANOS3NOS1NOS2
SCHEMBL7517456 0.78 ADRA1A (0.40) KDM4EMAPT
SCHEMBL8932290 0.75 GAA (0.39) GAANOS3NOS1NOS2KDM4E
SCHEMBL8786151 0.75 GAA (0.39) GAANOS3NOS1NOS2KDM4E
SCHEMBL8932294 0.75 GAA (0.39) GAANOS3NOS1NOS2KDM4E
SCHEMBL1067058 0.74 KDM4E (0.44) HTR2CGAANOS3NOS1NOS2
SCHEMBL8786474 0.73 KDM4E (0.47) HTR2CGAANOS3NOS1NOS2
SCHEMBL4849477 0.73 KDM4E (0.47) HTR2CGAANOS3NOS1NOS2
SCHEMBL570948 0.73 KDM4E (0.47) HTR2CGAANOS3NOS1NOS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498624-A PLANT FUNGICIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed